4,6-difluorobenzothiazole-2-ylamine
TL;DR: 4,6-difluorobenzothiazole-2-ylamine (CAS 119464-30-1) is a chemical compound with molecular formula C13H21N5O4 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1-hydroxybutan-2-ylamino)-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 4,6-difluorobenzothiazole-2-ylamine, NCI60_009320, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxyethyl)-8-((1-hydroxymethyl)propyl)amino)-, (+-)-, 7-(2-hydroxyethyl)-8-[1-(hydroxymethyl)propylamino]-1,3-dimethyl-purine-2,6-dione, 8-(1-hydroxybutan-2-ylamino)-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C13H21N5O4 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.15936 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 119464-30-1 |
|---|---|
| SMILES | CCC(CO)NC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C |
| InChIKey | GPEWINMGNPPOCM-UHFFFAOYSA-N |
Product Overview
4,6-difluorobenzothiazole-2-ylamine (CAS 119464-30-1), with molecular formula C13H21N5O4 and molecular weight 311.16 g/mol. IUPAC: 8-(1-hydroxybutan-2-ylamino)-7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 4,6-difluorobenzothiazole-2-ylamine
Property Insights of 4,6-difluorobenzothiazole-2-ylamine
The XLogP value of -0.6 indicates that 4,6-difluorobenzothiazole-2-ylamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-difluorobenzothiazole-2-ylamine. Following Lipinski's Rule of Five, 4,6-difluorobenzothiazole-2-ylamine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-difluorobenzothiazole-2-ylamine?
The CAS number of 4,6-difluorobenzothiazole-2-ylamine is 119464-30-1.
What is the molecular formula of 4,6-difluorobenzothiazole-2-ylamine?
The molecular formula of 4,6-difluorobenzothiazole-2-ylamine is C13H21N5O4.
What is the molecular weight of 4,6-difluorobenzothiazole-2-ylamine?
The molecular weight of 4,6-difluorobenzothiazole-2-ylamine is 311.16 g/mol.
Where can I buy 4,6-difluorobenzothiazole-2-ylamine?
You can request a quote for 4,6-difluorobenzothiazole-2-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-difluorobenzothiazole-2-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-difluorobenzothiazole-2-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.